(2R)-3-(4-ethylphenyl)-2-naphthalen-2-yloxypropanoic acid

C21H20O3 — CID 100530574

IUPAC(2R)-3-(4-ethylphenyl)-2-naphthalen-2-yloxypropanoic acid
SMILESCCc1ccc(C[C@@H](Oc2ccc3ccccc3c2)C(=O)O)cc1
InChIInChI=1S/C21H20O3/c1-2-15-7-9-16(10-8-15)13-20(21(22)23)24-19-12-11-17-5-3-4-6-18(17)14-19/h3-12,14,20H,2,13H2,1H3,(H,22,23)/t20-/m1/s1
InChIKeyWYGJODDJQHFREW-HXUWFJFHSA-N
MW320.39 g/mol
LogP4.48
Rot. Bonds6

About (2R)-3-(4-ethylphenyl)-2-naphthalen-2-yloxypropanoic acid

(2R)-3-(4-ethylphenyl)-2-naphthalen-2-yloxypropanoic acid (PubChem CID 100530574) has the molecular formula C21H20O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is (2R)-3-(4-ethylphenyl)-2-naphthalen-2-yloxypropanoic acid.

Molecular Properties

Compound Name(2R)-3-(4-ethylphenyl)-2-naphthalen-2-yloxypropanoic acid
PubChem CID100530574
Molecular FormulaC21H20O3
Molecular Weight320.39 g/mol
Exact Mass320.14
IUPAC Name(2R)-3-(4-ethylphenyl)-2-naphthalen-2-yloxypropanoic acid
SMILESCCc1ccc(C[C@@H](Oc2ccc3ccccc3c2)C(=O)O)cc1
InChIInChI=1S/C21H20O3/c1-2-15-7-9-16(10-8-15)13-20(21(22)23)24-19-12-11-17-5-3-4-6-18(17)14-19/h3-12,14,20H,2,13H2,1H3,(H,22,23)/t20-/m1/s1
InChIKeyWYGJODDJQHFREW-HXUWFJFHSA-N
XLogP4.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-naphthalen-2-yloxy-3-(4-phenoxyphenyl)propanoic acid
CID 100545011
3-(4-butylphenyl)-2-naphthalen-2-yloxypropanoic acid
CID 133241307
(2R)-3-(4-ethylphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100530411
(2S)-3-(3,4-dimethylphenyl)-2-naphthalen-2-yloxypropanoic acid
CID 100528680
(2S)-3-(3-methylphenyl)-2-naphthalen-2-yloxypropanoic acid
CID 100525262
(2R)-3-(4-methoxyphenyl)-2-phenoxypropanoic acid
CID 100542931
(2R)-3-(4-ethoxyphenyl)-2-phenoxypropanoic acid
CID 100544078
(2R)-3-(4-ethylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid
CID 100530432
N-(4-ethylphenyl)-2-naphthalen-2-yloxybutanamide
CID 43904923
3-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 133241025
(2S)-3-(4-ethylphenyl)-2-(2-methoxyphenoxy)propanoic acid
CID 100530459
4-(methylamino)-2-naphthalen-2-yloxybutanoic acid
CID 112519133

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-ethylphenyl)-2-naphthalen-2-yloxypropanoic acid?
The IUPAC name of (2R)-3-(4-ethylphenyl)-2-naphthalen-2-yloxypropanoic acid (CID 100530574) is (2R)-3-(4-ethylphenyl)-2-naphthalen-2-yloxypropanoic acid.
What is the SMILES notation for (2R)-3-(4-ethylphenyl)-2-naphthalen-2-yloxypropanoic acid?
The canonical SMILES for (2R)-3-(4-ethylphenyl)-2-naphthalen-2-yloxypropanoic acid is CCc1ccc(C[C@@H](Oc2ccc3ccccc3c2)C(=O)O)cc1.
What is the InChIKey of (2R)-3-(4-ethylphenyl)-2-naphthalen-2-yloxypropanoic acid?
The InChIKey is WYGJODDJQHFREW-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H20O3/c1-2-15-7-9-16(10-8-15)13-20(21(22)23)24-19-12-11-17-5-3-4-6-18(17)14-19/h3-12,14,20H,2,13H2,1H3,(H,22,23)/t20-/m1/s1.
What are the key properties of (2R)-3-(4-ethylphenyl)-2-naphthalen-2-yloxypropanoic acid?
(2R)-3-(4-ethylphenyl)-2-naphthalen-2-yloxypropanoic acid has a molecular weight of 320.39 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-ethylphenyl)-2-naphthalen-2-yloxypropanoic acid is sourced from PubChem (CID 100530574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).